Posted by Kerk Niu on March 15, 2022 at 04:32:09:
Hello, I want to know how to extracte one- and two- reduced density matrix from results files, after accomplishing DMRG-SCF. I used "python oneptdm_su2.py xxx.results.h5" to get one- rdm successfully, but failed to get two- rdm using "python
twoptrdm.py xxx.result.h5". Could you give me some advice?
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